5-(4-fluorophenyl)-N,3-dimethyl-1,3,4-oxadiazol-2-imine

C10H10FN3O — CID 15733516

IUPAC5-(4-fluorophenyl)-N,3-dimethyl-1,3,4-oxadiazol-2-imine
SMILESC/N=c1\oc(-c2ccc(F)cc2)nn1C
InChIInChI=1S/C10H10FN3O/c1-12-10-14(2)13-9(15-10)7-3-5-8(11)6-4-7/h3-6H,1-2H3/b12-10-
InChIKeyFMGUWSSSTXLUGK-BENRWUELSA-N
MW207.21 g/mol
LogP1.35
Rot. Bonds1

About 5-(4-fluorophenyl)-N,3-dimethyl-1,3,4-oxadiazol-2-imine

5-(4-fluorophenyl)-N,3-dimethyl-1,3,4-oxadiazol-2-imine (PubChem CID 15733516) has the molecular formula C10H10FN3O and a molecular weight of 207.21 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N,3-dimethyl-1,3,4-oxadiazol-2-imine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N,3-dimethyl-1,3,4-oxadiazol-2-imine
PubChem CID15733516
Molecular FormulaC10H10FN3O
Molecular Weight207.21 g/mol
Exact Mass207.08
IUPAC Name5-(4-fluorophenyl)-N,3-dimethyl-1,3,4-oxadiazol-2-imine
SMILESC/N=c1\oc(-c2ccc(F)cc2)nn1C
InChIInChI=1S/C10H10FN3O/c1-12-10-14(2)13-9(15-10)7-3-5-8(11)6-4-7/h3-6H,1-2H3/b12-10-
InChIKeyFMGUWSSSTXLUGK-BENRWUELSA-N
XLogP1.35
TPSA43.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N,3-dimethyl-1,3,4-oxadiazol-2-imine?
The IUPAC name of 5-(4-fluorophenyl)-N,3-dimethyl-1,3,4-oxadiazol-2-imine (CID 15733516) is 5-(4-fluorophenyl)-N,3-dimethyl-1,3,4-oxadiazol-2-imine.
What is the SMILES notation for 5-(4-fluorophenyl)-N,3-dimethyl-1,3,4-oxadiazol-2-imine?
The canonical SMILES for 5-(4-fluorophenyl)-N,3-dimethyl-1,3,4-oxadiazol-2-imine is C/N=c1\oc(-c2ccc(F)cc2)nn1C.
What is the InChIKey of 5-(4-fluorophenyl)-N,3-dimethyl-1,3,4-oxadiazol-2-imine?
The InChIKey is FMGUWSSSTXLUGK-BENRWUELSA-N. The full InChI is InChI=1S/C10H10FN3O/c1-12-10-14(2)13-9(15-10)7-3-5-8(11)6-4-7/h3-6H,1-2H3/b12-10-.
What are the key properties of 5-(4-fluorophenyl)-N,3-dimethyl-1,3,4-oxadiazol-2-imine?
5-(4-fluorophenyl)-N,3-dimethyl-1,3,4-oxadiazol-2-imine has a molecular weight of 207.21 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N,3-dimethyl-1,3,4-oxadiazol-2-imine is sourced from PubChem (CID 15733516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).